CID 16683223

Nsc644928

Structural Information

Molecular Formula
C25H20GeO2
SMILES
C1=CC=C(C=C1)[Ge](C2=CC=CC=C2)(C3=CC=CC=C3)OC4=CC=CC=CC4=O
InChI
InChI=1S/C25H20GeO2/c27-24-19-11-4-12-20-25(24)28-26(21-13-5-1-6-14-21,22-15-7-2-8-16-22)23-17-9-3-10-18-23/h1-20H
InChIKey
NRKCZKRMMOSQGS-UHFFFAOYSA-N
Compound name
2-triphenylgermyloxycyclohepta-2,4,6-trien-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

426.0675 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 427.07478 202.8
[M+Na]+ 449.05672 206.5
[M-H]- 425.06022 214.6
[M+NH4]+ 444.10132 212.3
[M+K]+ 465.03066 205.0
[M+H-H2O]+ 409.06476 194.2
[M+HCOO]- 471.06570 222.8
[M+CH3COO]- 485.08135 211.2
[M+Na-2H]- 447.04217 206.7
[M]+ 426.06695 199.1
[M]- 426.06805 199.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.